2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-N-thiazol-2-yl-acetamide CAS Name: 2-[[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[2-[(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[2-keto-2-[(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]thio]-N-thiazol-2-yl-acetamide Formula: C17H13N5O4S3 MolecularWeight: 447.51122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)NC3=NC=CS3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H13N5O4S3/c1-2-6-21-12-4-3-11(22(25)26)8-13(12)29-17(21)20-15(24)10-27-9-14(23)19-16-18-5-7-28-16/h1,3-5,7-8H,6,9-10H2,(H,18,19,23)